Geometry & MOs

Info

ID:

317953

PubChem CID:

126647977

Reduced:

O7C31H44 (1)

Stoich.:

A7B31C44 (1)

Weight, g/mol:

576.345089

ΔHf, kcal/mol:

-319.97

Dipole, Da:

5.67

IP(EA), eV:

 -8.66(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3E,7E)-11-[2-(3,4-dimethoxyphenyl)-1,3-dioxan-5-ylidene]-4,8-dimethylundeca-3,7-dienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1OC(CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(CO)CO)OC(=O)CCC(=O)O

DOS

IR

Vibrations